(2S)-1-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C19H28N4O4S/c20-19(25)17-6-5-11-22(17)14-18(24)21-15-7-9-16(10-8-15)28(26,27)23-12-3-1-2-4-13-23/h7-10,17H,1-6,11-14H2,(H2,20,25)(H,21,24)/p+1/t17-/m0/s1