N-[3-cyclohexyl-1-[[(4S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]thiophene-3-carboxamide

Systemtic Name: N-[3-cyclohexyl-1-[[(4S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]thiophene-3-carboxamide Openeye Name: N-[1-(cyclohexylmethyl)-2-[[(4S)-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]amino]-2-oxo-ethyl]thiophene-3-carboxamide CAS Name: N-[3-cyclohexyl-1-[[(4S)-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopropan-2-yl]-3-thiophenecarboxamide IUPAC Name: N-[3-cyclohexyl-1-[[(4S)-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopropan-2-yl]thiophene-3-carboxamide Traditional Name: N-[1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]amino]ethyl]thiophene-3-carboxamide Formula: C25H32N4O6S2 MolecularWeight: 548.67478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=[N+]3[O-])NC(=O)C4=CSC=C4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N[C@H]2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=[N+]3[O-])NC(=O)C4=CSC=C4

InChI

InChI=1S/C25H32N4O6S2/c30-22-16-28(37(34,35)23-10-4-5-13-29(23)33)12-6-9-20(22)26-25(32)21(15-18-7-2-1-3-8-18)27-24(31)19-11-14-36-17-19/h4-5,10-11,13-14,17-18,20-21H,1-3,6-9,12,15-16H2,(H,26,32)(H,27,31)/t20-,21?/m0/s1