(3S)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-phenyl-butanamide

Systemtic Name: (3S)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-phenyl-butanamide Openeye Name: (3S)-N-[2-(4-ethylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-phenyl-butanamide CAS Name: (3S)-N-[2-(4-ethyl-1-piperazinyl)-5-(1-piperidinylsulfonyl)phenyl]-3-phenylbutanamide IUPAC Name: (3S)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide Traditional Name: (3S)-N-[2-(4-ethylpiperazino)-5-piperidinosulfonyl-phenyl]-3-phenyl-butyramide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC(C)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C27H38N4O3S/c1-3-29-16-18-30(19-17-29)26-13-12-24(35(33,34)31-14-8-5-9-15-31)21-25(26)28-27(32)20-22(2)23-10-6-4-7-11-23/h4,6-7,10-13,21-22H,3,5,8-9,14-20H2,1-2H3,(H,28,32)/t22-/m0/s1