1-(3-methylbutyl)-4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazine

Systemtic Name: 1-(3-methylbutyl)-4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazine Openeye Name: 1-isopentyl-4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazine CAS Name: 1-(3-methylbutyl)-4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]piperazine IUPAC Name: 1-(3-methylbutyl)-4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazine Traditional Name: 1-isoamyl-4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazine Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O4S/c1-17(2)8-10-22-11-13-23(14-12-22)20-7-6-19(15-21(20)25(26)27)30(28,29)24-9-4-5-18(3)16-24/h6-7,15,17-18H,4-5,8-14,16H2,1-3H3