N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-[[(E)-styryl]sulfonylamino]propanamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-[[(E)-styryl]sulfonylamino]propionamide Formula: C21H29N4O3S2+ MolecularWeight: 449.60996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCNS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S2/c26-20(10-12-22-30(27,28)15-11-18-8-4-3-5-9-18)24-21-23-19(17-29-21)16-25-13-6-1-2-7-14-25/h3-5,8-9,11,15,17,22H,1-2,6-7,10,12-14,16H2,(H,23,24,26)/p+1/b15-11+