3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c27-21-16-26(12-10-23-21)31(29,30)20-8-4-7-18(13-20)22(28)24-19-9-11-25(15-19)14-17-5-2-1-3-6-17/h1-8,13,19H,9-12,14-16H2,(H,23,27)(H,24,28)/p+1/t19-/m0/s1