(2S)-1-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C20H31N4O5S+ MolecularWeight: 439.54894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C20H30N4O5S/c1-29-18-9-8-15(30(27,28)24-11-4-2-3-5-12-24)13-16(18)22-19(25)14-23-10-6-7-17(23)20(21)26/h8-9,13,17H,2-7,10-12,14H2,1H3,(H2,21,26)(H,22,25)/p+1/t17-/m0/s1