N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butan-2-yl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butan-2-yl]thiophene-2-sulfonamide Openeye Name: N-[(1S)-1-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-2-methyl-propyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butan-2-yl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-sulfonamide Traditional Name: N-[(1S)-1-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-2-methyl-propyl]thiophene-2-sulfonamide Formula: C21H30N3O3S2+ MolecularWeight: 436.6112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H29N3O3S2/c1-17(2)20(22-29(26,27)19-10-6-15-28-19)21(25)24-12-7-11-23(13-14-24)16-18-8-4-3-5-9-18/h3-6,8-10,15,17,20,22H,7,11-14,16H2,1-2H3/p+1/t20-/m0/s1