N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C26H34N5O3S+ MolecularWeight: 496.64486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H33N5O3S/c27-19-22-5-7-23(8-6-22)20-29-15-17-30(18-16-29)21-26(32)28-24-9-11-25(12-10-24)35(33,34)31-13-3-1-2-4-14-31/h5-12H,1-4,13-18,20-21H2,(H,28,32)/p+1