N-[4-[butyl(furan-2-ylmethyl)amino]-3-piperidin-1-ylcarbonyl-phenyl]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-piperidin-1-ylcarbonyl-phenyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-[butyl(2-furylmethyl)amino]-3-(piperidine-1-carbonyl)phenyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[4-[butyl(2-furanylmethyl)amino]-3-[oxo(1-piperidinyl)methyl]phenyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-(piperidine-1-carbonyl)phenyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[4-[butyl(2-furfuryl)amino]-3-(piperidine-1-carbonyl)phenyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C27H31ClN4O6S MolecularWeight: 575.07624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N4CCCCC4

Isomeric SMILES

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N4CCCCC4

InChI

InChI=1S/C27H31ClN4O6S/c1-2-3-13-31(19-21-8-7-16-38-21)25-12-9-20(17-23(25)27(33)30-14-5-4-6-15-30)29-39(36,37)22-10-11-24(28)26(18-22)32(34)35/h7-12,16-18,29H,2-6,13-15,19H2,1H3