5-[(Z)-1-phenylbut-1-enyl]-3-piperidin-1-ylsulfonyl-benzene-1,2-diamine

Systemtic Name: 5-[(Z)-1-phenylbut-1-enyl]-3-piperidin-1-ylsulfonyl-benzene-1,2-diamine Openeye Name: 5-[(Z)-1-phenylbut-1-enyl]-3-(1-piperidylsulfonyl)benzene-1,2-diamine CAS Name: 5-[(Z)-1-phenylbut-1-enyl]-3-(1-piperidinylsulfonyl)benzene-1,2-diamine IUPAC Name: 5-[(Z)-1-phenylbut-1-enyl]-3-piperidin-1-ylsulfonylbenzene-1,2-diamine Traditional Name: [2-amino-4-[(Z)-1-phenylbut-1-enyl]-6-piperidinosulfonyl-phenyl]amine Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CC=CC=C1)C2=CC(=C(C(=C2)S(=O)(=O)N3CCCCC3)N)N

Isomeric SMILES

CC/C=C(/C1=CC=CC=C1)\C2=CC(=C(C(=C2)S(=O)(=O)N3CCCCC3)N)N

InChI

InChI=1S/C21H27N3O2S/c1-2-9-18(16-10-5-3-6-11-16)17-14-19(22)21(23)20(15-17)27(25,26)24-12-7-4-8-13-24/h3,5-6,9-11,14-15H,2,4,7-8,12-13,22-23H2,1H3/b18-9-